2-[4,7-Bis(carboxymethyl)-10-[2-(dioctadecylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4,7-Bis(carboxymethyl)-10-[2-(dioctadecylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
• 化学式: C₅₂H₁₀₁N₅O₇
• 分子量: 908.403
• InChiKey: RBSPVRQWJSVVNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  64
• 可旋转键数：
  42
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2-[4,7-Bis(carboxymethyl)-10-[2-(dioctadecylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid 在 calcium oxide 作用下， 以 乙醇 为溶剂， 反应 26.0h， 以62%的产率得到[[10-[2-(dioctadecylamino)-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetate(3-)]calciate(1-)]calcium (2:1)
  参考文献：
  名称：

  [EN] FLUORESCENT SOLID LIPID NANOPARTICLES COMPOSITION AND PREPARATION THEREOF
  [FR] COMPOSITION DE NANOPARTICULES LIPIDES SOLIDES FLUORESCENTES ET SA PRÉPARATION

  摘要：

  本发明公开了一种固体脂质纳米粒子（SLN），包括：a）至少包括一种甘油酯和/或至少一种脂肪酸的固体脂质核心；b）形成围绕所述核心a）的壳层的两性分子成分混合物；c）与式I和/或II的化合物形成的碱土金属络合物；d）至少选择自：青菁荧光染料和/或选择自：香豆素、吡喍、喹啉、吡喍喹啉、吲哚和吡喍吲哚衍生物的多醚环化合物的荧光染料；以及其在酸形式或其药学上可接受的盐中。这些纳米粒子允许延长血液循环半衰期，显示增强的光稳定性和改善的荧光信号。染料免受降解并提高荧光量子产率。

  公开号：

  WO2014191467A1

文献信息

• Highly shifted LIPOCEST agents based on the encapsulation of neutral polynuclear paramagnetic shift reagents
  作者：Enzo Terreno、Alessandro Barge、Lorena Beltrami、Giancarlo Cravotto、Daniela Delli Castelli、Franco Fedeli、Bhagavathsingh Jebasingh、Silvio Aime

  DOI：10.1039/b715383j

  日期：——

  Improved LIPOCEST MRI contrast agents with highly shifted intraliposomal water protons were prepared by entrapping neutral polynuclear Tm(III)-based paramagnetic shift reagents in phospholipidic vesicles.

  通过将基于中性多核Tm（III）的顺磁移动试剂包埋在磷脂囊泡中，制备具有高度移动的脂质体内水质子的改良LIPOCEST MRI造影剂。
• CHELATE NANOEMULSION FOR MRI
  申请人：Port Marc

  公开号：US20130309176A1

  公开（公告）日：2013-11-21

  The present invention relates to an oil-in-water nanoemulsion composition for MRI, comprising: an aqueous phase, representing 70% to 90% by weight of the composition, advantageously 75% to 85% and more advantageously from 78% to 82% a lipid phase comprising an oil, representing 9.5% to 29.5% by weight of the composition, advantageously 14% to 25% and more advantageously 17% to 21%, a surfactant at the interface between the aqueous and lipid phases, the surfactant comprising at least one amphiphilic paramagnetic metal chelate and optionally an amphiphilic lipid; the total content of surfactant by weight relative to the oil being between 4% and 10% and advantageously between 5% and 8%; the total content of surfactant by weight relative to the composition being between 0.35% and 2.95% and advantageously between 0.5% and 2%; the oil comprising at least 70%, advantageously at least 80%, advantageously at least 95% by weight and especially at least 97% of saturated C6-C18, advantageously C6-C14 and more advantageously C6-C10 fatty acids.

  本发明涉及一种用于磁共振成像的油包水纳米乳液组合物，包括： 水相，表示组合物重量的70%至90%，优选75%至85%，更优选78%至82%； 脂相包括一种油，表示组合物重量的9.5%至29.5%，优选14%至25%，更优选17%至21%； 表面活性剂位于水相和脂相之间的界面上，表面活性剂包括至少一种两性磁性金属螯合物和可选的两性脂质； 相对于油的重量，表面活性剂的总含量在4%至10%之间，优选在5%至8%之间； 相对于组合物的重量，表面活性剂的总含量在0.35%至2.95%之间，优选在0.5%至2%之间； 油包括至少70%，优选至少80%，优选至少95%的饱和C6-C18，优选C6-C14，更优选C6-C10脂肪酸。
• LIPOSOMAL ASSEMBLY FOR THERAPEUTIC AND/OR DIAGNOSTIC USE
  申请人：BRACCO RESEARCH S.A.

  公开号：EP1750671A1

  公开（公告）日：2007-02-14
• NANOEMULSION DE CHELATE POUR IRM
  申请人：Guerbet

  公开号：EP2654802B1

  公开（公告）日：2017-12-06
• Liposomal assembly for therapeutic and/or diagnostic use
  申请人：Tournier Herve

  公开号：US20070196284A1

  公开（公告）日：2007-08-23

  Composition for diagnostic or therapeutic use which comprises an assembly comprising an active agent. The assembly comprises a liposome and a plurality of micellar components associated thereto, said micellar components being associated to the outer surface of the envelope of said liposome through a substantially electrostatic interaction. When an active compound is incorporated into the micelles, a substantial amount of said active compound can be linked to a singe liposome. Furthermore, the presence of the outer micellar layer allows to increase the residence time of said liposome in the blood stream.